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	hartrees
Energy at 0K	-154.798027
Energy at 298.15K	-154.804707
HF Energy	-154.154632
Nuclear repulsion energy	82.155194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3869	3670	38.64	92.31	0.22	0.36
2	A'	3181	3017	18.01	50.56	0.75	0.86
3	A'	3087	2928	12.16	153.95	0.01	0.01
4	A'	3048	2891	56.95	131.53	0.07	0.13
5	A'	1547	1467	1.39	2.82	0.72	0.84
6	A'	1518	1439	2.69	8.19	0.75	0.86
7	A'	1464	1388	11.51	2.38	0.25	0.40
8	A'	1407	1334	2.42	0.03	0.46	0.63
9	A'	1276	1210	62.65	1.36	0.73	0.85
10	A'	1124	1066	37.10	5.28	0.52	0.68
11	A'	1057	1003	47.65	5.25	0.13	0.23
12	A'	917	869	12.22	5.20	0.22	0.36
13	A'	418	396	10.83	0.27	0.65	0.78
14	A"	3186	3022	20.29	36.45	0.75	0.86
15	A"	3092	2933	37.54	84.21	0.75	0.86
16	A"	1500	1422	5.97	5.50	0.75	0.86
17	A"	1315	1247	0.00	4.48	0.75	0.86
18	A"	1192	1130	3.44	0.61	0.75	0.86
19	A"	825	782	0.09	0.08	0.75	0.86
20	A"	295	280	81.73	1.50	0.75	0.86
21	A"	242	230	34.51	0.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.167	-0.399	0.000
C2	0.000	0.556	0.000
O3	-1.189	-0.225	0.000
H4	-1.940	0.371	0.000
H5	2.107	0.148	0.000
H6	1.132	-1.033	0.881
H7	1.132	-1.033	-0.881
H8	0.038	1.198	0.883
H9	0.038	1.198	-0.883

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5078	2.3619	3.2008	1.0873	1.0865	1.0865	2.1451	2.1451
C2	1.5078		1.4223	1.9488	2.1458	2.1411	2.1411	1.0921	1.0921
O3	2.3619	1.4223		0.9591	3.3163	2.6108	2.6108	2.0758	2.0758
H4	3.2008	1.9488	0.9591		4.0528	3.4910	3.4910	2.3189	2.3189
H5	1.0873	2.1458	3.3163	4.0528		1.7668	1.7668	2.4817	2.4817
H6	1.0865	2.1411	2.6108	3.4910	1.7668		1.7629	2.4844	3.0472
H7	1.0865	2.1411	2.6108	3.4910	1.7668	1.7629		3.0472	2.4844
H8	2.1451	1.0921	2.0758	2.3189	2.4817	2.4844	3.0472		1.7660
H9	2.1451	1.0921	2.0758	2.3189	2.4817	3.0472	2.4844	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.391	C1	C2	H8	110.168
C1	C2	H9	110.168	C2	C1	H5	110.510
C2	C1	H6	110.184	C2	C1	H7	110.184
C2	O3	H4	108.269	O3	C2	H8	110.607
O3	C2	H9	110.607	H5	C1	H6	108.734
H5	C1	H7	108.734	H6	C1	H7	108.443
H8	C2	H9	107.912

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: MP2/cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CH2OH (Ethanol)

using model chemistry: MP2/cc-pVQZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)